[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-3-yl-methanone

Systemtic Name: [9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-3-yl-methanone Openeye Name: [9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-pyridyl)methanone CAS Name: [9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-pyridinyl)methanone IUPAC Name: [9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-3-ylmethanone Traditional Name: [9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-pyridyl)methanone Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H22N2O3S/c1-27-21-13-18(16-5-7-20(29-2)8-6-16)12-19-15-25(10-11-28-22(19)21)23(26)17-4-3-9-24-14-17/h3-9,12-14H,10-11,15H2,1-2H3